MMsINC Database Search


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MMsINC code: MMs02324829

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

Oc1c2c(ccc1O)cc1c(c2)c(O)cc(c1)C

InChI:

InChI=1/C15H12O3/c1-8-4-10-6-9-2-3-13(16)15(18)12(9)7-11(10)14(17)5-8/h2-7,16-18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6291 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -4.52871	SlogP: 3.41822	Reactive groups: 0

Topological Properties
Globularity: 0.0099825	Sterimol/B1: 2.07265	Sterimol/B2: 2.49425	Sterimol/B3: 3.71275
Sterimol/B4: 5.53091	Sterimol/L: 13.9355

Surface and Volume Properties
Accessible surface: 446.388	Positive charged surface: 251.724	Negative charged surface: 172.859	Volume: 225.5
Hydrophobic surface: 311.735	Hydrophilic surface: 134.653

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.